⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13090833 | 1.00 | — | — | |
| SCHEMBL19592526 | 0.79 | — | — | |
| SCHEMBL27312096 | 0.78 | — | — | |
| SCHEMBL24569577 | 0.78 | — | — | |
| SCHEMBL19457314 | 0.74 | — | — | |
| SCHEMBL716158 | 0.72 | — | — | |
| SCHEMBL14874132 | 0.72 | — | — | |
| SCHEMBL7579122 | 0.71 | — | — | |
| SCHEMBL10454392 | 0.70 | — | — | |
| SCHEMBL13090810 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105121432-A | Heterocyclic amides as kinase inhibitors | GLAXOSMITHKLINE IP DEV LTD | 2015-12-02 | — | — | CN | disclosed |